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Compound Detail

CHEMBL64132

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Cc1cc(N)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

Basic Information

ChEMBL ID CHEMBL64132
Phase Preclinical
Structure Type MOL
InChI Key IDNXXYTWLPEXIG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
-0.61
ALogP
4
HBA
3
HBD
141.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N4O3S
MW 270.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/hydrogen exchanger
CHEMBL2096985
IC50 7.8 7.8 16.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9207943 10.1021/jm960768n Sodium/hydrogen exchanger 1

Data from ChEMBL 36 via Core Engine